Information card for entry 4311335

Structure parameters

• Formula: C25 H20 N2 O2
• Calculated formula: C25 H20 N2 O2
• SMILES: C1(=CC(=C(c2cc(ccc2)C#N)\O)\C(=C1)C(=O)c1cc(ccc1)C#N)C(C)(C)C
• Title of publication: Syntheses and Structures of Ag(I)-Containing Coordination Polymers and Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands
• Authors of publication: Yu-Bin Dong; Peng Wang; Ru-Qi Huang; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4727 - 4739
• a: 9.7027 ± 0.0009 Å
• b: 12.8883 ± 0.0012 Å
• c: 16.8118 ± 0.0016 Å
• α: 74.2 ± 0.002°
• β: 89.116 ± 0.002°
• γ: 84.894 ± 0.002°
• Cell volume: 2014.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No